2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile

C15H16N2O — CID 117048670

IUPAC2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile
SMILESCC(CN)(Cc1ccco1)c1ccccc1C#N
InChIInChI=1S/C15H16N2O/c1-15(11-17,9-13-6-4-8-18-13)14-7-3-2-5-12(14)10-16/h2-8H,9,11,17H2,1H3
InChIKeyFYAMGQSLVIDVGZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile

2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile (PubChem CID 117048670) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile
PubChem CID117048670
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile
SMILESCC(CN)(Cc1ccco1)c1ccccc1C#N
InChIInChI=1S/C15H16N2O/c1-15(11-17,9-13-6-4-8-18-13)14-7-3-2-5-12(14)10-16/h2-8H,9,11,17H2,1H3
InChIKeyFYAMGQSLVIDVGZ-UHFFFAOYSA-N
XLogP2.61
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048447
2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048660
3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 117048652
2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048637
3-(furan-2-yl)-2-methyl-2-(4-nitrophenyl)propan-1-amine
CID 117048678
2-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048662
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048648
2-(2-hydroxypropan-2-yl)benzonitrile
CID 67754511
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
CID 65392790
2-(2-methylpentan-2-yl)benzonitrile
CID 68719325
3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile
CID 117048617
2-(2-cyano-1-phenylpropan-2-yl)benzonitrile
CID 117048187

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile?
The IUPAC name of 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile (CID 117048670) is 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile.
What is the SMILES notation for 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile?
The canonical SMILES for 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile is CC(CN)(Cc1ccco1)c1ccccc1C#N.
What is the InChIKey of 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile?
The InChIKey is FYAMGQSLVIDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(11-17,9-13-6-4-8-18-13)14-7-3-2-5-12(14)10-16/h2-8H,9,11,17H2,1H3.
What are the key properties of 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile?
2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile is sourced from PubChem (CID 117048670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).